Atomistry » Iron » PDB 2z5z-2zpg » 2zi8
Atomistry »
  Iron »
    PDB 2z5z-2zpg »
      2zi8 »

Iron in PDB 2zi8: Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa)

Enzymatic activity of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa)

All present enzymatic activity of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa):
1.13.11.39;

Protein crystallography data

The structure of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa), PDB code: 2zi8 was solved by I.D'angelo, K.C.Yam, L.D.Eltis, N.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.20
Space group P 4 21 2
Cell size a, b, c (Å), α, β, γ (°) 124.318, 124.318, 106.383, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 26.4

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa) (pdb code 2zi8). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa), PDB code: 2zi8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2zi8

Go back to Iron Binding Sites List in 2zi8
Iron binding site 1 out of 2 in the Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe701

b:24.0
occ:1.00
 O A:HOH839 1.6 24.2 1.0
OE1 A:GLU266 2.0 13.3 1.0
NE2 A:HIS145 2.2 15.8 1.0
NE2 A:HIS215 2.2 24.4 1.0
OAF A:SDT702 2.3 44.5 1.0
OAE A:SDT702 2.6 43.2 1.0
CE1 A:HIS145 3.0 12.9 1.0
CE1 A:HIS215 3.1 21.9 1.0
CD2 A:HIS215 3.2 20.3 1.0
CD A:GLU266 3.2 18.1 1.0
CAS A:SDT702 3.3 45.4 1.0
CD2 A:HIS145 3.3 20.4 1.0
CAR A:SDT702 3.3 42.1 1.0
O A:HOH842 3.4 30.1 1.0
OH A:TYR256 3.6 17.4 1.0
OE2 A:GLU266 3.8 19.1 1.0
CB A:MET217 4.0 14.3 1.0
NE2 A:HIS200 4.1 9.2 1.0
ND1 A:HIS145 4.1 16.6 1.0
ND1 A:HIS215 4.2 21.2 1.0
CG A:HIS215 4.3 21.1 1.0
CG A:HIS145 4.3 17.9 1.0
CG A:GLU266 4.3 15.9 1.0
CB A:GLU266 4.4 14.2 1.0
CE1 A:HIS247 4.4 29.1 1.0
CG A:MET217 4.4 16.1 1.0
CZ A:TYR256 4.5 13.4 1.0
CAT A:SDT702 4.6 44.2 1.0
CAH A:SDT702 4.7 38.8 1.0
CE1 A:TYR256 4.7 14.0 1.0
CG2 A:VAL147 4.7 19.7 1.0
CE1 A:HIS200 4.9 9.6 1.0
ND1 A:HIS247 4.9 29.7 1.0

Iron binding site 2 out of 2 in 2zi8

Go back to Iron Binding Sites List in 2zi8
Iron binding site 2 out of 2 in the Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of the Hsac Extradiol Dioxygenase From M. Tuberculosis in Complex with 3,4-Dihydroxy-9,10- Seconandrost-1,3,5(10)-Triene-9,17-Dione (Dhsa) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe701

b:17.8
occ:1.00
 O B:HOH944 1.6 23.5 1.0
OE1 B:GLU266 1.9 7.5 1.0
NE2 B:HIS215 2.2 12.9 1.0
NE2 B:HIS145 2.2 12.9 1.0
O B:HOH887 2.3 19.9 1.0
OAF B:SDT702 2.8 59.8 1.0
CE1 B:HIS145 3.0 14.1 1.0
CD B:GLU266 3.1 11.3 1.0
CE1 B:HIS215 3.1 18.4 1.0
CD2 B:HIS215 3.1 17.3 1.0
CD2 B:HIS145 3.3 12.3 1.0
OE2 B:GLU266 3.6 18.6 1.0
OH B:TYR256 3.8 16.8 1.0
OAE B:SDT702 3.9 54.8 1.0
CAS B:SDT702 4.0 59.0 1.0
CB B:MET217 4.0 11.6 1.0
NE2 B:HIS200 4.2 14.5 1.0
ND1 B:HIS145 4.2 15.2 1.0
ND1 B:HIS215 4.2 14.4 1.0
CG B:HIS215 4.3 17.2 1.0
CG B:GLU266 4.3 12.7 1.0
CB B:GLU266 4.4 12.9 1.0
CAR B:SDT702 4.4 58.0 1.0
CG B:HIS145 4.4 11.7 1.0
CG B:MET217 4.4 14.0 1.0
CE1 B:HIS247 4.4 21.2 1.0
CG2 B:VAL147 4.7 11.2 1.0
CZ B:TYR256 4.7 11.9 1.0
OD2 B:ASP250 4.7 22.6 1.0
CE2 B:TYR256 4.8 11.2 1.0
ND1 B:HIS247 4.8 22.4 1.0
CE1 B:HIS200 4.9 9.5 1.0

Reference:

K.C.Yam, I.D'angelo, R.Kalscheuer, H.Zhu, J.X.Wang, V.Snieckus, L.H.Ly, P.J.Converse, W.R.Jacobs, N.Strynadka, L.D.Eltis. Studies of A Ring-Cleaving Dioxygenase Illuminate the Role of Cholesterol Metabolism in the Pathogenesis of Mycobacterium Tuberculosis. Plos Pathog. V. 5 E1000 2009.
ISSN: ISSN 1553-7366
PubMed: 19300498
DOI: 10.1371/JOURNAL.PPAT.1000344
Page generated: Sun Dec 13 14:58:59 2020

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy